REMARK  Name = BDB053112
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.679   0.799   3.081  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.112   0.816   2.005  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1       -0.311  -0.017   0.919  0.00  0.00    -0.257 N 
ATOM      4  C   LIG    1        0.569   0.299  -0.191  0.00  0.00    +0.189 C 
ATOM      5  C   LIG    1        1.359   1.466   0.339  0.00  0.00    +0.019 A 
ATOM      6  C   LIG    1        2.351   2.227  -0.262  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1        2.920   3.273   0.472  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1        2.496   3.551   1.784  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        1.492   2.788   2.383  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        0.946   1.761   1.637  0.00  0.00    +0.045 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1        1.444  -0.871  -0.627  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1        1.479  -1.297  -1.968  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1        2.283  -2.370  -2.363  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        3.066  -3.032  -1.422  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1        4.056  -4.352  -1.908  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1        3.053  -2.630  -0.089  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        2.249  -1.557   0.305  0.00  0.00    +0.010 A 
ENDBRANCH   4  11
BRANCH   4  18
ATOM     18  O   LIG    1       -0.229   0.789  -1.250  0.00  0.00    -0.364 OA
ATOM     19  H   LIG    1       -1.067   1.038  -0.826  0.00  0.00    +0.213 HD
ENDBRANCH   4  18
BRANCH   3  20
ATOM     20  C   LIG    1       -1.261  -1.115   0.918  0.00  0.00    +0.146 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.555  -0.752   0.235  0.00  0.00    -0.030 A 
ATOM     22  C   LIG    1       -3.471   0.105   0.863  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -4.656   0.467   0.222  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -4.937  -0.022  -1.053  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -4.033  -0.872  -1.688  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -2.847  -1.236  -1.048  0.00  0.00    +0.005 A 
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 4